N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-ethyl-3-keto-3-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C16H16N3O3S+ MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])[N+]2=CC=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-2-17-16(23)14(18-9-4-3-5-10-18)15(20)12-7-6-8-13(11-12)19(21)22/h3-11,14H,2H2,1H3/p+1